基态氢分子之间的相互作用波函数显含电子相关坐标的微扰计算
ON THE INTERACTION BETWEEN TWO HYDROGEN MOLECULES IN THE GROUND STATE-A PERTURBATIVE CALCULATION WITH THE WAVE FUNCTION DEPENDING ON THE INTERELECTRONIC DISTANCE EXPLICITLY
摘要
本文采用Weinbaum波函数与显含电子相关坐标的Jastrow相关因子的乘积作为氢分子的变分波函数,在微扰论的框架下计算了Cross构型的H_2-H_2系统在van der Waals极小值附近的势能曲线。
A perturbative calculation for the interaction near the van der Waals minimum between two hydrogen molecules in the crossed geometry is performed by using the product of the Weinbaum wave function and a correlated Jastrow function as the trial wave function of H2.
出处
《原子与分子物理学报》
CAS
CSCD
北大核心
1989年第1期959-966,共8页
Journal of Atomic and Molecular Physics
参考文献1
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1E. Kochanski. Ab initio calculation of the intermolecular energy between two hydrogen molecules near the van der Waals minimum[J] 1975,Theoretica Chimica Acta(4):339～346
